3-ethyl-1-(phenylmethyl)piperidin-1-ium-3,4-diol; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-ethyl-1-(phenylmethyl)piperidin-1-ium-3,4-diol; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-benzyl-3-ethyl-piperidin-1-ium-3,4-diol; 2,2,2-trifluoroacetate CAS Name: 3-ethyl-1-(phenylmethyl)piperidin-1-ium-3,4-diol; 2,2,2-trifluoroacetate IUPAC Name: 1-benzyl-3-ethylpiperidin-1-ium-3,4-diol; 2,2,2-trifluoroacetate Traditional Name: 1-benzyl-3-ethyl-piperidin-1-ium-3,4-diol; 2,2,2-trifluoroacetate Formula: C16H22F3NO4 MolecularWeight: 349.34539

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[NH+](CCC1O)CC2=CC=CC=C2)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCC1(C[NH+](CCC1O)CC2=CC=CC=C2)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H21NO2.C2HF3O2/c1-2-14(17)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12;3-2(4,5)1(6)7/h3-7,13,16-17H,2,8-11H2,1H3;(H,6,7)